SCHEMBL2229402

SCHEMBL2229402

CC(C)n1cc(-c2ccnc(Nc3cncc(C#N)c3)n2)c2ccncc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
DYRK1A Q13627 5/20 0.45
GSK3B P49841 5/20 0.45
NFATC1 O95644 1/20 0.45
CDK2 P24941 5/20 0.44
CDK4 P11802 4/20 0.44
CDK9 P50750 2/20 0.40
CCNT1 O60563 1/20 0.40
DYRK3 O43781 1/20 0.40
IGF1R P08069 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2229802 0.92 MKNK1 (0.47) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2228031 0.90 GSK3B (0.57) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2228210 0.89 GSK3B (0.53) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2228014 0.89 CDK2 (0.45) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2226944 0.88 CDK2 (0.43) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2230002 0.88 CDK2 (0.43) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2229329 0.88 MKNK1 (0.43) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2228389 0.88 MKNK1 (0.46) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL2228358 0.87 MKNK1 (0.52) MKNK1MKNK2DYRK1AGSK3BNFATC1
SCHEMBL13425291 0.85 GSK3B (0.47) MKNK1MKNK2DYRK1AGSK3BNFATC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 ADORA2B 3352/4885MKNK1 332/4885MKNK2 181/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.